(3S)-N-cyclopropyl-1-[1-(2-methylsulfanylethanoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(2-methylsulfanylethanoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[2-(methylthio)-1-oxoethyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[2-(methylthio)acetyl]-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C17H30N3O2S+ MolecularWeight: 340.504

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NC3CC3

Isomeric SMILES

CSCC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NC3CC3

InChI

InChI=1S/C17H29N3O2S/c1-23-12-16(21)19-9-6-15(7-10-19)20-8-2-3-13(11-20)17(22)18-14-4-5-14/h13-15H,2-12H2,1H3,(H,18,22)/p+1/t13-/m0/s1